Geometry & MOs

Info

ID:

442520

PubChem CID:

135252634

Reduced:

S2N4H32C53 (1)

Stoich.:

A2B4C32D53 (1)

Weight, g/mol:

785.253923

ΔHf, kcal/mol:

289.47

Dipole, Da:

4.43

IP(EA), eV:

 -8.35(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[5-[3-carbazol-9-yl-5-[2-(9-oxoacridin-10-yl)pyrimidin-5-yl]phenyl]pyrimidin-2-yl]acridin-9-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(S2)C=CC(=C3)C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)C7=CC8=C(C=C7)SC(=C8)C9=CC=CC=C9)C1=CC=C(C=C1)C1=CN=C2C=NN=CC2=C1

DOS

IR

Vibrations